(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)-[4-(phenylmethyl)-1,4-diazepan-1-yl]methanone

Systemtic Name: (4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)-[4-(phenylmethyl)-1,4-diazepan-1-yl]methanone Openeye Name: (4-benzyl-1,4-diazepan-1-yl)-[4-methyl-2-(2-thienyl)thiazol-5-yl]methanone CAS Name: (4-methyl-2-thiophen-2-yl-5-thiazolyl)-[4-(phenylmethyl)-1,4-diazepan-1-yl]methanone IUPAC Name: (4-benzyl-1,4-diazepan-1-yl)-(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methanone Traditional Name: (4-benzyl-1,4-diazepan-1-yl)-[4-methyl-2-(2-thienyl)thiazol-5-yl]methanone Formula: C21H23N3OS2 MolecularWeight: 397.55682

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)C2=CC=CS2)C(=O)N3CCCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(SC(=N1)C2=CC=CS2)C(=O)N3CCCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C21H23N3OS2/c1-16-19(27-20(22-16)18-9-5-14-26-18)21(25)24-11-6-10-23(12-13-24)15-17-7-3-2-4-8-17/h2-5,7-9,14H,6,10-13,15H2,1H3